3-[[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonyl-phenyl-amino]-N-[3-[4-(diethylaminomethyl)phenyl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]propanamide; fluoranylphosphonic acid

Systemtic Name: 3-[[2,4-bis(chloranyl)-3-methyl-phenyl]sulfonyl-phenyl-amino]-N-[3-[4-(diethylaminomethyl)phenyl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]propanamide; fluoranylphosphonic acid Openeye Name: 3-(N-(2,4-dichloro-3-methyl-phenyl)sulfonylanilino)-N-[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-2-pyrrolidin-1-yl-ethyl]propanamide; fluorophosphonic acid CAS Name: 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)-N-[3-[4-(diethylaminomethyl)phenyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]propanamide; fluorophosphonic acid IUPAC Name: 3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)-N-[3-[4-(diethylaminomethyl)phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide; fluorophosphonic acid Traditional Name: 3-(N-(2,4-dichloro-3-methyl-phenyl)sulfonylanilino)-N-[1-[4-(diethylaminomethyl)benzyl]-2-keto-2-pyrrolidino-ethyl]propionamide; fluorophosphonic acid Formula: C34H54Cl2F6N4O22P6S MolecularWeight: 1273.610145

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CC(C(=O)N2CCCC2)NC(=O)CCN(C3=CC=CC=C3)S(=O)(=O)C4=C(C(=C(C=C4)Cl)C)Cl.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CC(C(=O)N2CCCC2)NC(=O)CCN(C3=CC=CC=C3)S(=O)(=O)C4=C(C(=C(C=C4)Cl)C)Cl.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F.OP(=O)(O)F

InChI

InChI=1S/C34H42Cl2N4O4S.6FH2O3P/c1-4-38(5-2)24-27-15-13-26(14-16-27)23-30(34(42)39-20-9-10-21-39)37-32(41)19-22-40(28-11-7-6-8-12-28)45(43,44)31-18-17-29(35)25(3)33(31)36;6*1-5(2,3)4/h6-8,11-18,30H,4-5,9-10,19-24H2,1-3H3,(H,37,41);6*(H2,2,3,4)